ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
Basic information
- CAS
67720-58-5- Standard SMILES
CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)C1c1ccccc1Cl- InChIKey
WUDXIQWBFQIIAQ-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O3
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.0927701
Names & identifiers
- Preferred name
- ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylate
Names & synonyms
NSC34322067720-58-5ethyl 2-amino-4-(2-chlorophenyl)-5-cyano-6-phenyl-4H-pyran-3-carboxylateDTXSID40319269NSC-343220DS-000779
Database identifiers
- CAS
67720-58-5- PubChem CID
- 335076
- DTXSID
DTXSID40319269
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 685
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Compound notes
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